SCHEMBL2228142

SCHEMBL2228142

CC(C)COC(=O)N1CCC(Nc2cc(C#N)ccc2O)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
IRAK1 P51617 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
MGLL Q99685 4/20 0.41
NOS2 P35228 6/20 0.41
NOS1 P29475 5/20 0.41
NOS3 P29474 2/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TNF P01375 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3913162 0.84 MAPT (0.50) NOS2NOS1NOS3KDM4ELMNA
SCHEMBL3919400 0.82 KDM4E (0.54) MGLLKDM4ELMNA
SCHEMBL2219085 0.82 GPR119 (0.59) IRAK4GPR119
SCHEMBL3914840 0.80 NOS2 (0.47) NOS2NOS1NOS3KDM4ELMNA
SCHEMBL3657098 0.77 NOS2 (0.42) GPR119NOS2NOS1NOS3KDM4E
SCHEMBL4646792 0.76 KDM1A (0.42) NOS2NOS1NOS3KDM4ELMNA
SCHEMBL3921754 0.74 NOS2 (0.49) GPR119NOS2NOS1NOS3KDM4E
SCHEMBL4659793 0.74 NOS2 (0.50) NOS2NOS1NOS3KDM4ELMNA
SCHEMBL3805407 0.73 KDM4E (0.55) NOS2KDM4ELMNA
SCHEMBL4647282 0.73 MAPT (0.49) NOS2NOS1NOS3LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344483-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2011-07-20 EP disclosed
EP-2194982-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2010-06-16 EP disclosed
EP-2194983-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2010-06-16 EP disclosed
WO-2010037723-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2010-04-08 WO disclosed
WO-2009037296-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO disclosed
WO-2009037294-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO disclosed